2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-[(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]propanoic acid Openeye Name: 2-[(7-hydroxy-2-oxo-chromen-4-yl)methylsulfanyl]propanoic acid CAS Name: 2-[(7-hydroxy-2-oxo-1-benzopyran-4-yl)methylthio]propanoic acid IUPAC Name: 2-[(7-hydroxy-2-oxochromen-4-yl)methylsulfanyl]propanoic acid Traditional Name: 2-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]propionic acid Formula: C13H12O5S MolecularWeight: 280.29638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC(=O)OC2=C1C=CC(=C2)O

Isomeric SMILES

CC(C(=O)O)SCC1=CC(=O)OC2=C1C=CC(=C2)O

InChI

InChI=1S/C13H12O5S/c1-7(13(16)17)19-6-8-4-12(15)18-11-5-9(14)2-3-10(8)11/h2-5,7,14H,6H2,1H3,(H,16,17)